N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

C17H30N2O — CID 62432854

IUPACN-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1oc(CNC(C)(C)C)cc1CN(C)C(C)C1CC1
InChIInChI=1S/C17H30N2O/c1-12(14-7-8-14)19(6)11-15-9-16(20-13(15)2)10-18-17(3,4)5/h9,12,14,18H,7-8,10-11H2,1-6H3
InChIKeyKBXQWKOTKKLSLA-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.71
Rot. Bonds6

About N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62432854) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62432854
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1oc(CNC(C)(C)C)cc1CN(C)C(C)C1CC1
InChIInChI=1S/C17H30N2O/c1-12(14-7-8-14)19(6)11-15-9-16(20-13(15)2)10-18-17(3,4)5/h9,12,14,18H,7-8,10-11H2,1-6H3
InChIKeyKBXQWKOTKKLSLA-UHFFFAOYSA-N
XLogP3.71
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (CID 62432854) is N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is Cc1oc(CNC(C)(C)C)cc1CN(C)C(C)C1CC1.
What is the InChIKey of N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KBXQWKOTKKLSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(14-7-8-14)19(6)11-15-9-16(20-13(15)2)10-18-17(3,4)5/h9,12,14,18H,7-8,10-11H2,1-6H3.
What are the key properties of N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62432854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).